Abhishek Agarwala

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• We discuss computational bottlenecks in MD and discuss challenges in parallelizing. • We present a hybrid algorithm using MPI with OpenMP threads for parallelizing MD scheme. • The algorithm is discussed using nano-indentation of Cr films with C indenters using the EAM and Morse potentials. • We study performance of our algorithm for a range of MPI–thread(More)
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